SCHEMBL12218445

SCHEMBL12218445

Cc1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 15/20 0.61
HDAC1 Q13547 1/20 0.61
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12218928 0.90 CFTR (0.67) CFTRHDAC1
SCHEMBL12217455 0.90 CFTR (0.61) CFTRHDAC1
SCHEMBL12217308 0.89 CFTR (0.63) CFTRHDAC1
SCHEMBL12218894 0.89 CFTR (0.58) CFTRHDAC1POLBMEN1THRB
SCHEMBL12217666 0.89 CFTR (0.58) CFTRHDAC1POLBNPC1MAPT
SCHEMBL12217669 0.88 CFTR (0.66) CFTRHDAC1MEN1KMT2ANPC1
SCHEMBL12217580 0.87 CFTR (0.60) CFTRHDAC1POLBMEN1KMT2A
SCHEMBL12218739 0.87 MEN1 (0.58) CFTRHDAC1MEN1KMT2AMAPT
SCHEMBL12219111 0.87 CFTR (0.56) CFTRHDAC1POLBMEN1THRB
SCHEMBL12218673 0.87 CFTR (0.56) CFTRHDAC1POLBNPC1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150065497-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-03-05 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-8846753-B2 Modulators of ATP-binding cassette transporters VERTEX PHARAMACEUTICALS INCORPORATED (US) 2014-09-30 US disclosed
US-8524767-B2 Modulators of ATP binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524767-B2 Modulators of ATP binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8039491-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-8039491-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
US-7691902-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7691902-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7671221-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-02 US disclosed
US-7671221-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-02 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CFTR 1/4885HDAC1 3064/4885POLB 3770/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CFTR 1/4885HDAC1 3064/4885POLB 3770/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885POLB 2183/4885
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885POLB 2183/4885
US-20150065497-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885POLB 2183/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 CFTR 1/4885HDAC1 3380/4885POLB 2676/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CFTR 1/4885HDAC1 3064/4885POLB 3770/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.